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AIFCHEM-5801065081 [0,1,0,0,0,0|3,0,0]=4 15 B11R0.174 COC(=O)CCCN(C)CCO AIFCHEM-94548502723 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.157 CC(=O)NC1CCNC(=O)C1 AIFCHEM-94535591877 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.166 CC(=O)N1CCC(=O)CC1C AIFCHEM-6081613937 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.166 CC(=O)N1CCC(=O)C[C@@H]1C AIFCHEM-94605356281 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.166 CC(=O)N1CCC(=O)C[C@H]1C AIFCHEM-5740994481 [0,0,0,1,0,0|2,0,0]=3 20 B9R0.48 CCNC(=O)CNC(=O)C AIFCHEM-5821849821 [0,0,0,0,1,0|3,0,0]=4 21 B9R0.48 CCOC(=O)CNC(=O)C AIFCHEM-94605354824 [0,0,0,0,1,0|3,0,0]=4 22 B11R0.176 CC#CC(=O)NCCCC(=O)N AIFCHEM-5892955481 [0,0,0,0,0,1|1,0,2]=4 23 B11R0.176 CSCC(=O)NCCCC(=O)N AIFCHEM-5923689024 [0,0,0,0,0,1|2,0,0]=3 24 B11R0.176 CSCC(=O)NCCNC(=O)C AIFCHEM-5921141661 [0,0,0,0,0,1|3,0,0]=4 25 B11R0.176 CSCC(=O)NCCNC(=O)O AIFCHEM-94535754048 [0,0,0,0,0,1|2,0,0]=3 26 B11R0.176 N#CCC(=O)NCCNC(=O)O AIFCHEM-94559910136 [0,0,0,0,0,1|2,0,1]=4 27 B8R0.28 CC(=O)NCCC(=O)N AIFCHEM-94535598360 [2,0,0,0,0,0|2,0,0]=4 28 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[0,1,0,0,1,0|2,0,0]=4 42 B10R0.96 C[C@H](O)CC(=O)NCC(=O)N AIFCHEM-94550128038 [0,1,0,0,1,0|2,0,0]=4 43 B12R0.86 CCC(C)C(=O)NCCCC(=O)N AIFCHEM-5939053342 [0,1,0,0,0,1|1,0,0]=3 44 B12R0.86 CCC(C)C(=O)NCCNC(=O)O AIFCHEM-94535750386 [0,1,0,0,0,1|1,0,0]=3 45 B12R0.86 CCC(O)C(=O)NCCOC(=O)C AIFCHEM-5616186961 [0,1,0,0,0,1|2,0,0]=4 46 B12R0.86 CC[C@@H](C)C(=O)NCCCC(=O)N AIFCHEM-5893961791 [0,1,0,0,0,1|1,0,0]=3 47 B12R0.86 CC[C@@H](C)C(=O)NCCNC(=O)O AIFCHEM-94535754786 [0,1,0,0,0,1|1,0,0]=3 48 B12R0.86 CC[C@@H](O)C(=O)NCCOC(=O)C AIFCHEM-5616438935 [0,1,0,0,0,1|2,0,0]=4 49 B12R0.86 CC[C@H](C)C(=O)NCCCC(=O)N AIFCHEM-5893983781 [0,1,0,0,0,1|1,0,0]=3 50 B12R0.86 CC[C@H](C)C(=O)NCCNC(=O)O AIFCHEM-94535752575 [0,1,0,0,0,1|1,0,0]=3 51 B12R0.86 O=C(O)NCCNC(=O)C(O)CO AIFCHEM-94535755816 [0,1,0,0,0,1|2,0,0]=4 52 B12R0.95 C/C=C/CC(=O)NCCNC(=O)O AIFCHEM-94535752289 [0,1,0,0,0,1|1,0,1]=4 53 B12R0.95 CC(=O)SCCCC(=O)NCCF AIFCHEM-94542302059 [0,1,0,0,0,1|2,0,0]=4 54 B12R0.95 CCSCC(=O)NCCCS(=O)C AIFCHEM-94580214574 [0,1,0,0,0,1|2,0,0]=4 55 B12R0.95 CSCCC(=O)NCCNC(=O)O AIFCHEM-94535757126 [0,1,0,0,0,1|1,0,0]=3 56 B12R0.95 N#CCCC(=O)NCCNC(=O)O AIFCHEM-94535752259 [0,1,0,0,0,1|1,0,1]=4 57 B12R0.270 CC(=O)NCCCC(=O)NC(C)C AIFCHEM-94520547927 [0,1,0,0,0,1|2,0,0]=4 58 B12R0.276 C#CC(=O)NCCCC(=O)OCC AIFCHEM-94525201282 [0,1,0,0,0,1|2,0,0]=4 59 B12R0.276 C#CCC(=O)NCCCC(=O)OC AIFCHEM-6130291418 [0,1,0,0,0,1|0,0,2]=4 60 B12R0.276 CCOC(=O)CCCNC(=O)CO AIFCHEM-94532684934 [0,1,0,0,0,1|1,0,0]=3 61 B12R0.276 COCC(=O)NCCCC(=O)OC AIFCHEM-6118043342 [0,1,0,0,0,1|1,0,0]=3 62 B12R0.140 CC(=O)CCNC(=O)CC(C)(C)Br AIFCHEM-94607817225 [0,2,0,0,0,0|2,0,0]=4 63 B12R0.140 CC(=O)CCNC(=O)CC(C)(C)Cl AIFCHEM-94604525212 [0,2,0,0,0,0|2,0,0]=4 64 B12R0.240 CCC(C)CC(=O)NCCC(=O)C AIFCHEM-6215101763 [0,2,0,0,0,0|2,0,0]=4 65 B12R0.240 CC[C@H](C)CC(=O)NCCC(=O)C AIFCHEM-6218558821 [0,2,0,0,0,0|2,0,0]=4 66 B12R0.241 COC(=O)CCCN(C)CC(C)O AIFCHEM-94592437056 [0,2,0,0,0,0|2,0,0]=4 67 B12R0.686 CC(=O)CCNC(=O)C(C)C(C)C AIFCHEM-6218962620 [0,2,0,0,0,0|2,0,0]=4 68 B12R0.156 CCC(=O)CCCC(=O)N(C)CC AIFCHEM-94552442739 [0,2,0,0,0,0|2,0,0]=4 69 B12R0.156 CCC(C)N(C)CCCC(=O)OC AIFCHEM-94592445813 [0,2,0,0,0,0|2,0,0]=4 70 B12R0.156 CCC(O)C(=O)NCCC(=O)OC AIFCHEM-6174292964 [0,2,0,0,0,0|1,0,0]=3 71 B12R0.156 CC[C@@H](O)C(=O)NCCC(=O)OC AIFCHEM-6131568189 [0,2,0,0,0,0|1,0,0]=3 72 B12R0.349 CCC(C)(C)C(=O)NCCC(=O)C AIFCHEM-6194842899 [0,2,0,0,0,0|2,0,0]=4 73 B12R0.349 CCC(C)(O)C(=O)NCCC(=O)C AIFCHEM-6194097138 [0,2,0,0,0,0|2,0,0]=4 74 B12R0.44 CC(=O)CCCC(=O)NCC(=O)C AIFCHEM-6039599917 [0,2,0,0,0,0|1,0,1]=4 75 B12R0.102 CCCCN(C)CCCC(=O)OC AIFCHEM-94523043041 [0,2,0,0,0,0|2,0,0]=4 76 B12R0.102 CCCNC(C)CCCC(=O)OC AIFCHEM-94521367013 [0,2,0,0,0,0|1,0,1]=4 77 B12R0.102 CCOCC(=O)NCCC(=O)OC AIFCHEM-6174146594 [0,2,0,0,0,0|1,0,0]=3 78 B12R0.102 COC(=O)CCCN(C)CCCO AIFCHEM-94592442004 [0,2,0,0,0,0|2,0,0]=4 79 B12R0.102 COC(=O)CCNC(=O)CCC#N AIFCHEM-6108990820 [0,2,0,0,0,0|1,0,1]=4 80 B12R0.233 CCCCNC(=O)CCCC(=O)C AIFCHEM-94570981077 [0,2,0,0,0,0|1,0,0]=3 81 B12R0.233 CCCCNC(=O)CCNC(=O)N AIFCHEM-5736814258 [0,2,0,0,0,0|2,0,0]=4 82 B12R0.233 CCCCNC(=O)COCC(=O)N AIFCHEM-5693634145 [0,2,0,0,0,0|2,0,0]=4 83 B12R0.233 COCCNC(=O)CCCC(=O)C AIFCHEM-6016505804 [0,2,0,0,0,0|1,0,0]=3 84 B12R0.233 COCCNC(=O)COCC(=O)N AIFCHEM-6016362460 [0,2,0,0,0,0|2,0,0]=4 85 B12R0.233 CSCCNC(C)CCCC(=O)O AIFCHEM-94598921670 [0,2,0,0,0,0|1,0,1]=4 86 B12R0.285 CCOC(=O)CCNC(=O)CSC AIFCHEM-6012165141 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.255 O=C(O)CCNCC1CCCC1 AIFCHEM-5845910100 [0,0,0,1,0,1|1,0,1]=4 88 B12R1.279 CCCN1CCC[C@@H](C1)C(=O)O AIFCHEM-94569023055 [0,0,0,1,0,1|2,0,0]=4 89 B12R1.279 CCCN1CCC[C@H](C1)C(=O)O AIFCHEM-94569016282 [0,0,0,1,0,1|2,0,0]=4 90 B12R1.279 CCCN1CCOC(C1)C(=O)O AIFCHEM-94605798367 [0,0,0,1,0,1|2,0,0]=4 91 B12R1.279 CCCN1CCO[C@@H](C1)C(=O)O AIFCHEM-94601026645 [0,0,0,1,0,1|2,0,0]=4 92 B12R1.279 CCCN1CCO[C@H](C1)C(=O)O AIFCHEM-94569011255 [0,0,0,1,0,1|2,0,0]=4 93 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 AIFCHEM-5616946414 [0,0,0,1,0,1|2,0,0]=4 94 B12R1.1584 CCCC(C)N1CC[C@H]1C(=O)O AIFCHEM-94606115056 [0,0,0,1,0,1|1,0,1]=4 95 B12R1.1584 NC(=O)[C@@H]1CCN1C(=O)CCO AIFCHEM-94567095878 [0,0,0,1,0,1|2,0,0]=4 96 B12R1.103 CC(C)NC(=O)[C@@H]1CNC(=O)O1 AIFCHEM-94520551281 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.1359 CC(=O)CCNC(=O)CC1CC1 AIFCHEM-6194525074 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.1359 CC(=O)NCCC(=O)NC1CC1 AIFCHEM-6133324272 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.1359 CC(CCCC(=O)O)NC1CC1 AIFCHEM-94573315528 [0,1,0,1,0,0|1,0,1]=4 100 B12R1.1359 CN(CCCC(=O)O)CC1CC1 AIFCHEM-94596084147 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.113 CCCN1CCC(CC1)C(=O)O AIFCHEM-94569019160 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.1357 CC(=O)CCNC(=O)C1CCO1 AIFCHEM-6235616921 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.1357 CC(=O)CCNC(=O)[C@@H]1CCO1 AIFCHEM-6193878731 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.1357 CC(CCCC(=O)O)N1CCC1 AIFCHEM-6016006975 [0,1,0,1,0,0|1,0,1]=4 105 B12R1.1357 NC(=O)CCNC(=O)C1CCC1 AIFCHEM-94572523167 [0,1,0,1,0,0|2,0,0]=4 106 B12R1.1358 CC(=O)CCNC(=O)C1(CC1)C AIFCHEM-6218472265 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.29 CCCNC(=O)C1CNC(=O)C1 AIFCHEM-94521380250 [0,1,0,1,0,0|2,0,0]=4 108 B12R1.29 CCCNC(=O)[C@@H]1CNC(=O)O1 AIFCHEM-94521380666 [0,1,0,1,0,0|1,0,0]=3 109 B12R1.29 CCCNC(=O)[C@H]1CNC(=O)C1 AIFCHEM-94521378279 [0,1,0,1,0,0|2,0,0]=4 110 B12R1.29 CSCCC(=O)N1CCC(=O)C1 AIFCHEM-5795357535 [0,1,0,1,0,0|2,0,0]=4 111 B12R1.337 CCCNC1CCC(C1)C(=O)O AIFCHEM-94601241113 [0,1,0,1,0,0|1,0,1]=4 112 B12R1.337 CCCNC1CC[C@@H](C1)C(=O)O AIFCHEM-5814737407 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.337 CCCNC1CC[C@H](C1)C(=O)O AIFCHEM-94521366734 [0,1,0,1,0,0|1,0,1]=4 114 B12R1.337 CCCN[C@@H]1CC[C@@H](C1)C(=O)O AIFCHEM-94569021815 [0,1,0,1,0,0|1,0,1]=4 115 B12R1.337 CCCN[C@@H]1CC[C@H](C1)C(=O)O AIFCHEM-94567617490 [0,1,0,1,0,0|1,0,1]=4 116 B12R1.337 CCCN[C@H]1CC[C@H](C1)C(=O)O AIFCHEM-94569019162 [0,1,0,1,0,0|1,0,1]=4 117 B12R1.462 CCCNC(=O)CC1CC(=O)C1 AIFCHEM-5853495189 [0,1,0,1,0,0|1,0,0]=3 118 B12R1.462 CCOCC(=O)NC1CC(=O)C1 AIFCHEM-5952584307 [0,1,0,1,0,0|2,0,0]=4 119 B12R1.462 CCSCC(=O)NC1CC(=O)C1 AIFCHEM-94580209552 [0,1,0,1,0,0|2,0,0]=4 120 B12R1.177 CCCN1CC(C1)CC(=O)OC AIFCHEM-94569011492 [0,1,0,1,0,0|2,0,0]=4 121 B12R1.1703 C#CC(=O)N1CCC(=O)CC1C AIFCHEM-94525193517 [0,1,0,1,0,0|2,0,0]=4 122 B12R1.1703 C#CC(=O)N1CCC(=O)C[C@@H]1C AIFCHEM-94525202058 [0,1,0,1,0,0|2,0,0]=4 123 B12R1.1703 C#CC(=O)N1CCC(=O)C[C@H]1C AIFCHEM-94525193991 [0,1,0,1,0,0|2,0,0]=4 124 B12R0.277 CSCC(=O)NCCCCC(=O)N AIFCHEM-5964880593 [0,0,0,0,0,2|2,0,0]=4 125 B12R0.277 CSCC(=O)NCCCNC(=O)C AIFCHEM-94531742493 [0,0,0,0,0,2|2,0,0]=4